Task 38680510
| Name | test_581-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3939_0 |
| Workunit | 31622228 |
| Created | 27 Oct 2026, 0:14:07 UTC |
| Sent | 27 Oct 2026, 0:14:14 UTC |
| Report deadline | 1 Nov 2026, 0:14:14 UTC |
| Received | 27 Oct 2026, 0:49:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 541192 |
| Run time | 31 min 36 sec |
| CPU time | 29 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 52,227.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.34 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.59 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:19:01 (41536): wrapper (7.9.26016): starting
01:19:01 (41536): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
01:19:03 (41536): Library/usr/bin/tar.exe exited; CPU time 0.031250
01:19:03 (41536): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'J:\BOINC\data\slots\9\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'J:\BOINC\data\slots\9\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
01:48:40 (41536): C:/Windows/system32/cmd.exe exited; CPU time 1751.953125
01:48:40 (41536): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 39202726 bytes.
Dumping objects ->
{3835586} normal block at 0x000001C97FE36280, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835575} normal block at 0x000001C901C717A0, 32 bytes long.
Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835564} normal block at 0x000001C901C72160, 32 bytes long.
Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835553} normal block at 0x000001C901C71FE0, 32 bytes long.
Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835542} normal block at 0x000001C901C71AA0, 32 bytes long.
Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C
{3835511} normal block at 0x000001C97FE35F00, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835500} normal block at 0x000001C901C3EED0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835497} normal block at 0x000001C97FE2B620, 8 bytes long.
Data: < I É > 00 00 49 00 C9 01 00 00
{3834717} normal block at 0x000001C901C3E1B0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833991} normal block at 0x000001C97FE2B850, 8 bytes long.
Data: <pë³ É > 70 EB B3 01 C9 01 00 00
..\zip\boinc_zip.cpp(122) : {327} normal block at 0x000001C97FE328E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x000001C97FE26860, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{311} normal block at 0x000001C97FE36F10, 16 bytes long.
Data: <xzã É > 78 7A E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x000001C97FE37550, 16 bytes long.
Data: <Pzã É > 50 7A E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001C97FE2F440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{308} normal block at 0x000001C97FE36E20, 16 bytes long.
Data: <(zã É > 28 7A E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001C97FE37500, 16 bytes long.
Data: < zã É > 00 7A E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001C97FE36DD0, 16 bytes long.
Data: <Øyã É > D8 79 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001C97FE36D80, 16 bytes long.
Data: <°yã É > B0 79 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001C97FE36050, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{303} normal block at 0x000001C97FE37140, 16 bytes long.
Data: < þá É > 08 FE E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001C97FE2F3E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{301} normal block at 0x000001C97FE374B0, 16 bytes long.
Data: <àýá É > E0 FD E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001C97FE36CE0, 16 bytes long.
Data: <¸ýá É > B8 FD E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C97FE36EC0, 16 bytes long.
Data: < ýá É > 90 FD E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C97FE376E0, 16 bytes long.
Data: <hýá É > 68 FD E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C97FE37410, 16 bytes long.
Data: <@ýá É > 40 FD E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C97FE36C40, 16 bytes long.
Data: < ýá É > 18 FD E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C97FE2F1A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{293} normal block at 0x000001C97FE37690, 16 bytes long.
Data: <ðüá É > F0 FC E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C97FE1FCF0, 320 bytes long.
Data: < vã É  ñâ É > 90 76 E3 7F C9 01 00 00 A0 F1 E2 7F C9 01 00 00
{291} normal block at 0x000001C97FE36BF0, 16 bytes long.
Data: < yã É > 90 79 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C97FE372D0, 16 bytes long.
Data: <hyã É > 68 79 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C97FE2EF60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{288} normal block at 0x000001C97FE36920, 16 bytes long.
Data: <@yã É > 40 79 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C97FE2F500, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{286} normal block at 0x000001C97FE36E70, 16 bytes long.
Data: < xã É > 88 78 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C97FE37460, 16 bytes long.
Data: <`xã É > 60 78 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C97FE36C90, 16 bytes long.
Data: <8xã É > 38 78 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C97FE36BA0, 16 bytes long.
Data: < xã É > 10 78 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C97FE373C0, 16 bytes long.
Data: <èwã É > E8 77 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C97FE36D30, 16 bytes long.
Data: <Àwã É > C0 77 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C97FE370F0, 16 bytes long.
Data: <@]ã É > 40 5D E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C97FE35D40, 40 bytes long.
Data: <ðpã É _ã É > F0 70 E3 7F C9 01 00 00 00 5F E3 7F C9 01 00 00
{277} normal block at 0x000001C97FE36B00, 16 bytes long.
Data: < wã É > A0 77 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C97FE375A0, 16 bytes long.
Data: <xwã É > 78 77 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C97FE2F980, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{274} normal block at 0x000001C97FE367E0, 16 bytes long.
Data: <Pwã É > 50 77 E3 7F C9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C97FE37750, 992 bytes long.
Data: <àgã É ùâ É > E0 67 E3 7F C9 01 00 00 80 F9 E2 7F C9 01 00 00
{109} normal block at 0x000001C97FE2FDA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{108} normal block at 0x000001C97FE2B5D0, 16 bytes long.
Data: < úá É > 00 FA E1 7F C9 01 00 00 00 00 00 00 00 00 00 00
{107} normal block at 0x000001C97FE1FA00, 40 bytes long.
Data: <еâ É  ýâ É > D0 B5 E2 7F C9 01 00 00 A0 FD E2 7F C9 01 00 00
{86} normal block at 0x000001C97FE2BE90, 16 bytes long.
Data: < ê ¡÷ > 80 EA 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001C97FE2AF90, 16 bytes long.
Data: <@é ¡÷ > 40 E9 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001C97FE2BB70, 16 bytes long.
Data: <øWŠ¡÷ > F8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001C97FE2AF40, 16 bytes long.
Data: <ØWŠ¡÷ > D8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001C97FE2B580, 16 bytes long.
Data: <P Š¡÷ > 50 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001C97FE2BB20, 16 bytes long.
Data: <0 Š¡÷ > 30 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001C97FE2BDA0, 16 bytes long.
Data: <à Š¡÷ > E0 02 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001C97FE2B350, 16 bytes long.
Data: < Š¡÷ > 10 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001C97FE2BA30, 16 bytes long.
Data: <p Š¡÷ > 70 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001C97FE2B170, 16 bytes long.
Data: < À ¡÷ > 18 C0 88 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra